2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one

C13H23NO — CID 62616157

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one
SMILESCC(C1CC1)N(C)CC1CCCCC1=O
InChIInChI=1S/C13H23NO/c1-10(11-7-8-11)14(2)9-12-5-3-4-6-13(12)15/h10-12H,3-9H2,1-2H3
InChIKeyOCEXAFNGMPFVHQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one

2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one (PubChem CID 62616157) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one
PubChem CID62616157
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one
SMILESCC(C1CC1)N(C)CC1CCCCC1=O
InChIInChI=1S/C13H23NO/c1-10(11-7-8-11)14(2)9-12-5-3-4-6-13(12)15/h10-12H,3-9H2,1-2H3
InChIKeyOCEXAFNGMPFVHQ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one (CID 62616157) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one is CC(C1CC1)N(C)CC1CCCCC1=O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one?
The InChIKey is OCEXAFNGMPFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(11-7-8-11)14(2)9-12-5-3-4-6-13(12)15/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one?
2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62616157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).